Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | |
| Uniprot ID | |
| Species | Priestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19) |
| Txid | 1348623 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | Mutations versus WT:A82M/F87A/H171L/T260G/T268S/Q307H/N319Y |
Reaction Scheme:
| Chemical Conversion | C27H44O → C27H44O2 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
CYP102A1
Substrate Information:
| Substrate Name | Vitamin D3 |
| Substrate Chemical Formula | C27H44O |
| Substrate Smiles | C1C[C@@](C)2[C@]([C@@H](CCCC(C)C)C)([H])CC[C@@]2([H])/C(=C/C=C2C(=C)CC[C@H](O)C2)/C1 |
| Substrate Structure |
Product Information:
| Product Name | Calcitriol |
| Product Chemical Formula | C27H44O2 |
| Product Smiles | C1C[C@@](C)2[C@]([C@@H](CCCC(O)(C)C)C)([H])CC[C@@]2([H])/C(=C/C=C2C(=C)CC[C@H](O)C2)/C1 |
| Product Structure |
References:
| Title: | Selective Oxidation of Vitamin D(3) Enhanced by Long-Range Effects of a Substrate Channel Mutation in Cytochrome P450(BM3) (CYP102A1). |
| PMID: | 38963680 |
| Journal: | Chemistry - A European Journal |
| Year: | 2024/6/4 |